FeRhF6
Alexandria ALEXAlex-ID: agm002269748 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_8_spg148
FeF3 RhF3
2018-09-24 00:40:28
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002269748).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm002269748
data_agm002269748
_cell_length_a 5.08812
_cell_length_b 5.08879
_cell_length_c 5.43947
_cell_angle_alpha 62.11581
_cell_angle_beta 62.11833
_cell_angle_gamma 60.00505
_cell_volume 102.66235
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.50000 0.50000 0.50000 1.00000
F1 F 0.74797 0.11892 0.74619 1.00000
F2 F 0.38684 0.74795 0.74624 1.00000
F3 F 0.88111 0.61313 0.25386 1.00000
F4 F 0.61316 0.25205 0.25376 1.00000
F5 F 0.25203 0.88108 0.25381 1.00000
F6 F 0.11889 0.38687 0.74614 1.00000
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